3,3,5-Trimethylcyclohexyl methacrylate

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  • Identifiers

    CAS number
    7779-31-9

    Molecular formula
    C13H22O2

    SMILES
    CC1CC(CC(C1)(C)C)OC(=O)C(=C)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Herbal 64.11%
    Fruity 62.01%
    Mint 60.28%
    Sweet 56.86%
    Floral 50.92%
    Woody 40.55%
    Camphoreous 39.02%
    Rose 38.36%
    Cooling 35.17%
    Tobacco 34.96%

     

    Flavor
    Woody 59.58%
    Herbal 43.79%
    Fruity 42.44%
    Sweet 41.58%
    Minty 31.73%
    Floral 30.8%
    Spicy 30.07%
    Tobacco 29.06%
    Camphor 28.75%
    Berry 28.36%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    8.1 (weak base)

    Molecular weight
    210.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    244°C

    Flash point

    • 99.63 ˚C est.

  • Synonyms

    • 3,3,5-Trimethylcyclohexyl methacrylate
    • 2-Propenoic acid, 2-methyl-, 3,3,5-trimethylcyclohexyl ester
    • RefChem:485184
    • 231-927-0
    • 7779-31-9
    • (3,3,5-trimethylcyclohexyl) 2-methylprop-2-enoate
    • 3,3,5-trimethylcyclohexyl 2-methylprop-2-enoate
    • 3,5,5-trimethylcyclohexyl methacrylate
    • 508SPW3T3P
    • DTXSID5044990
    • MFCD00078372
    • UNII-508SPW3T3P
    • EINECS 231-927-0
    • SCHEMBL194848
    • CHEMBL3186116
    • DTXCID3024990
    • CHEBI:183275
    • Tox21_301400
    • SBB057178
    • AKOS015916407
    • NCGC00256120-01
    • CAS-7779-31-9
    • DB-105145
    • NS00020120
    • ST50825596
    • D93174
    • Q27260765
    • 75673-26-6
    • 7779-31-9

  • Applications

    3,3,5-Trimethylcyclohexyl methacrylate (CAS 7779-31-9) is a bulky cyclohexyl methacrylate monomer used primarily as a reactive building block in radical polymerization to produce specialty polymers. In practice, it is commonly employed as a component for UV-curable coatings and inks to increase hardness, chemical resistance, and weatherability of the polymer matrix; as a comonomer in plastics formulations and adhesives to tailor Tg and mechanical performance; in encapsulation resins or protective plastics for electronics to enhance durability; and it can be applied to improve optical clarity and stability of industrial polymers.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4255.01
    methanol 3987.34
    isopropanol 3549.71
    water 3.76
    ethyl acetate 3834.14
    n-propanol 3494.08
    acetone 3501.37
    n-butanol 3519.16
    acetonitrile 2157.95
    DMF 3550.05
    toluene 1795.54
    isobutanol 3123.69
    1,4-dioxane 4630.43
    methyl acetate 2825.42
    THF 7031.03
    2-butanone 3126.75
    n-pentanol 2129.98
    sec-butanol 3340.86
    n-hexane 775.54
    ethylene glycol 437.56
    NMP 3194.26
    cyclohexane 1155.68
    DMSO 1487.23
    n-butyl acetate 3243.71
    n-octanol 1275.34
    chloroform 5601.06
    n-propyl acetate 1836.13
    acetic acid 3731.42
    dichloromethane 3673.74
    cyclohexanone 4715.2
    propylene glycol 942.99
    isopropyl acetate 3229.28
    DMAc 3122.93
    2-ethoxyethanol 1996.57
    isopentanol 3472.45
    n-heptane 307.23
    ethyl formate 2053.27
    1,2-dichloroethane 3013.01
    n-hexanol 3974.29
    2-methoxyethanol 3517.43
    isobutyl acetate 1497.69
    tetrachloromethane 910.61
    n-pentyl acetate 1673.89
    transcutol 6223.06
    n-heptanol 1265.98
    ethylbenzene 973.31
    MIBK 2327.95
    2-propoxyethanol 4000.92
    tert-butanol 4006.41
    MTBE 5032.13
    2-butoxyethanol 1754.78
    propionic acid 2386.82
    o-xylene 1156.89
    formic acid 1170.76
    diethyl ether 3965.02
    m-xylene 1482.97
    p-xylene 1280.08
    chlorobenzene 1916.5
    dimethyl carbonate 917.45
    n-octane 134.21
    formamide 1179.79
    cyclopentanone 3913.49
    2-pentanone 3216.81
    anisole 1445.42
    cyclopentyl methyl ether 3927.32
    gamma-butyrolactone 3895.77
    1-methoxy-2-propanol 2761.33
    pyridine 3013.64
    3-pentanone 2103.35
    furfural 2860.32
    n-dodecane 90.84
    diethylene glycol 1780.84
    diisopropyl ether 1745.34
    tert-amyl alcohol 3928.64
    acetylacetone 2620.58
    n-hexadecane 105.71
    acetophenone 1215.03
    methyl propionate 2261.4
    isopentyl acetate 3415.26
    trichloroethylene 5523.83
    n-nonanol 1028.75
    cyclohexanol 3611.37
    benzyl alcohol 1150.52
    2-ethylhexanol 1822.26
    isooctanol 1015.74
    dipropyl ether 1556.35
    1,2-dichlorobenzene 1514.86
    ethyl lactate 669.01
    propylene carbonate 2450.59
    n-methylformamide 1997.2
    2-pentanol 3044.22
    n-pentane 723.23
    1-propoxy-2-propanol 2580.3
    1-methoxy-2-propyl acetate 2709.09
    2-(2-methoxypropoxy) propanol 1277.61
    mesitylene 955.6
    ε-caprolactone 4310.24
    p-cymene 596.62
    epichlorohydrin 4765.8
    1,1,1-trichloroethane 3606.41
    2-aminoethanol 1266.3
    morpholine-4-carbaldehyde 3321.31
    sulfolane 2706.41
    2,2,4-trimethylpentane 442.09
    2-methyltetrahydrofuran 6082.02
    n-hexyl acetate 2715.39
    isooctane 376.17
    2-(2-butoxyethoxy)ethanol 2013.12
    sec-butyl acetate 1726.06
    tert-butyl acetate 3142.06
    decalin 468.62
    glycerin 955.48
    diglyme 3033.25
    acrylic acid 1639.31
    isopropyl myristate 763.59
    n-butyric acid 4282.42
    acetyl acetate 2134.53
    di(2-ethylhexyl) phthalate 613.47
    ethyl propionate 1505.32
    nitromethane 3885.89
    1,2-diethoxyethane 2627.83
    benzonitrile 1502.56
    trioctyl phosphate 467.13
    1-bromopropane 2505.47
    gamma-valerolactone 4899.77
    n-decanol 677.54
    triethyl phosphate 563.83
    4-methyl-2-pentanol 1844.34
    propionitrile 1976.87
    vinylene carbonate 1969.72
    1,1,2-trichlorotrifluoroethane 2818.99
    DMS 1443.8
    cumene 706.69
    2-octanol 958.37
    2-hexanone 1902.91
    octyl acetate 962.41
    limonene 1068.62
    1,2-dimethoxyethane 3165.25
    ethyl orthosilicate 627.38
    tributyl phosphate 646.66
    diacetone alcohol 2577.35
    N,N-dimethylaniline 999.6
    acrylonitrile 1842.06
    aniline 1723.06
    1,3-propanediol 2076.78
    bromobenzene 1861.92
    dibromomethane 2798.02
    1,1,2,2-tetrachloroethane 4714.89
    2-methyl-cyclohexyl acetate 1323.23
    tetrabutyl urea 712.68
    diisobutyl methanol 845.05
    2-phenylethanol 1678.23
    styrene 1009.4
    dioctyl adipate 845.83
    dimethyl sulfate 994.24
    ethyl butyrate 1544.38
    methyl lactate 890.52
    butyl lactate 1128.06
    diethyl carbonate 899.41
    propanediol butyl ether 1464.83
    triethyl orthoformate 1102.31
    p-tert-butyltoluene 601.69
    methyl 4-tert-butylbenzoate 1128.39
    morpholine 5867.63
    tert-butylamine 2849.34
    n-dodecanol 469.94
    dimethoxymethane 2365.91
    ethylene carbonate 1942.33
    cyrene 930.24
    2-ethoxyethyl acetate 1949.22
    2-ethylhexyl acetate 2447.99
    1,2,4-trichlorobenzene 1721.54
    4-methylpyridine 3879.17
    dibutyl ether 1450.37
    2,6-dimethyl-4-heptanol 845.05
    DEF 3127.7
    dimethyl isosorbide 1873.39
    tetrachloroethylene 3012.83
    eugenol 936.57
    triacetin 1336.38
    span 80 1193.28
    1,4-butanediol 719.57
    1,1-dichloroethane 3945.21
    2-methyl-1-pentanol 2277.87
    methyl formate 1617.8
    2-methyl-1-butanol 3432.05
    n-decane 188.22
    butyronitrile 2584.28
    3,7-dimethyl-1-octanol 1294.45
    1-chlorooctane 850.43
    1-chlorotetradecane 272.45
    n-nonane 193.75
    undecane 122.74
    tert-butylcyclohexane 457.29
    cyclooctane 372.75
    cyclopentanol 2917.23
    tetrahydropyran 6271.79
    tert-amyl methyl ether 3445.88
    2,5,8-trioxanonane 1577.95
    1-hexene 1946.28
    2-isopropoxyethanol 1565.15
    2,2,2-trifluoroethanol 1108.29
    methyl butyrate 2097.57

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction